CAS RN: 135581-16-7
4-Piperidinone, 1-acetyl-, 4-oxime (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260129 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS135581-16-7
- Purity/Analytical Methods: >99.0%
135581-16-7 / 1-(4-hydroxyiminopiperidin-1-yl)ethanone
Basic Information
CAS
135581-16-7
Multi CAS
No
Molecular Formula
C7H12N2O2
Molecular Weight
156.180000
Exact Mass
156.089878
SMILES
CC(=O)N1CCC(=NO)CC1
InChI
InChI=1S/C7H12N2O2/c1-6(10)9-4-2-7(8-11)3-5-9/h11H,2-5H2,1H3
InChIKey
LGYZFQBEYRBOFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.71
TPSA
52.9
LogP / Solubility
WLOGP
0.46
MLOGP
0.4
XLogP3
-0.6
Consensus LogP
0.09
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.06
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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